1-[fluoro(fluoro)methoxy]-4-phenylbenzene

C13H10F2O — CID 172516407

IUPAC1-[fluoro(fluoro)methoxy]-4-phenylbenzene
SMILESFC([18F])Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10F2O/c14-13(15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H/i14-1
InChIKeyQPQOBTBELMMKJE-UMSOTBISSA-N
MW219.22 g/mol
LogP3.95
Rot. Bonds3

About 1-[fluoro(fluoro)methoxy]-4-phenylbenzene

1-[fluoro(fluoro)methoxy]-4-phenylbenzene (PubChem CID 172516407) has the molecular formula C13H10F2O and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-[fluoro(fluoro)methoxy]-4-phenylbenzene.

Molecular Properties

Compound Name1-[fluoro(fluoro)methoxy]-4-phenylbenzene
PubChem CID172516407
Molecular FormulaC13H10F2O
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name1-[fluoro(fluoro)methoxy]-4-phenylbenzene
SMILESFC([18F])Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10F2O/c14-13(15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H/i14-1
InChIKeyQPQOBTBELMMKJE-UMSOTBISSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

difluoromethoxybenzene;ethane
CID 142246454
3-[4-(difluoromethoxy)phenyl]benzoic acid
CID 71025160
1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene
CID 150268284
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
1-(difluoromethoxy)-4-(3-propylphenyl)benzene
CID 67565840
[4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium
CID 22007900
3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole
CID 151277815
1-fluoro-3,3-dimethyl-1-(4-phenylphenoxy)butan-2-one
CID 13078447
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
1-but-3-enyl-4-[4-(difluoromethoxy)phenyl]benzene
CID 139764185
4-(difluoromethoxy)aniline
CID 737363

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(fluoro)methoxy]-4-phenylbenzene?
The IUPAC name of 1-[fluoro(fluoro)methoxy]-4-phenylbenzene (CID 172516407) is 1-[fluoro(fluoro)methoxy]-4-phenylbenzene.
What is the SMILES notation for 1-[fluoro(fluoro)methoxy]-4-phenylbenzene?
The canonical SMILES for 1-[fluoro(fluoro)methoxy]-4-phenylbenzene is FC([18F])Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[fluoro(fluoro)methoxy]-4-phenylbenzene?
The InChIKey is QPQOBTBELMMKJE-UMSOTBISSA-N. The full InChI is InChI=1S/C13H10F2O/c14-13(15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H/i14-1.
What are the key properties of 1-[fluoro(fluoro)methoxy]-4-phenylbenzene?
1-[fluoro(fluoro)methoxy]-4-phenylbenzene has a molecular weight of 219.22 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(fluoro)methoxy]-4-phenylbenzene is sourced from PubChem (CID 172516407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).